Information card for entry 2239836

Structure parameters

• Common name: triclopyr
• Chemical name: 2-[(3,5,6-Trichloropyridin-2-yl)oxy]acetic acid
• Formula: C7 H4 Cl3 N O3
• Calculated formula: C7 H4 Cl3 N O3
• SMILES: Clc1nc(OCC(=O)O)c(Cl)cc1Cl
• Title of publication: Crystal structure of triclopyr
• Authors of publication: Cho, Seonghwa; Kim, Jineun; Jeon, Youngeun; Kim, Tae Ho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o940
• a: 7.5771 ± 0.0009 Å
• b: 25.409 ± 0.003 Å
• c: 10.1668 ± 0.0012 Å
• α: 90°
• β: 106.261 ± 0.008°
• γ: 90°
• Cell volume: 1879.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes